2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C9H16N2O2 — CID 83671256

IUPAC2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C)OC2(CCNCC2)NC1=O
InChIInChI=1S/C9H16N2O2/c1-8(2)7(12)11-9(13-8)3-5-10-6-4-9/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyJGBKDUZKCOXRTD-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds

About 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 83671256) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID83671256
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C)OC2(CCNCC2)NC1=O
InChIInChI=1S/C9H16N2O2/c1-8(2)7(12)11-9(13-8)3-5-10-6-4-9/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyJGBKDUZKCOXRTD-UHFFFAOYSA-N
XLogP-0.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 83671256) is 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CC1(C)OC2(CCNCC2)NC1=O.
What is the InChIKey of 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is JGBKDUZKCOXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)7(12)11-9(13-8)3-5-10-6-4-9/h10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 184.24 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 83671256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).